2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide

C12H26N2O2S — CID 114700166

IUPAC2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide
SMILESCC1CNCCC1CNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-10-7-13-6-5-11(10)8-14-17(15,16)9-12(2,3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyOZUKNCGZHVVEPB-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.20
Rot. Bonds4

About 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide

2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide (PubChem CID 114700166) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide
PubChem CID114700166
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide
SMILESCC1CNCCC1CNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-10-7-13-6-5-11(10)8-14-17(15,16)9-12(2,3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyOZUKNCGZHVVEPB-UHFFFAOYSA-N
XLogP1.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328
2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 114700187
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide
CID 114955853
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890
N-[(2-methylcyclohexyl)methyl]pyrrolidine-3-sulfonamide
CID 65422436
3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
CID 103019709
1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
CID 114700170
propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CID 114700132
N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide
CID 106136264
N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide
CID 66186773

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide (CID 114700166) is 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide is CC1CNCCC1CNS(=O)(=O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is OZUKNCGZHVVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10-7-13-6-5-11(10)8-14-17(15,16)9-12(2,3)4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide?
2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 114700166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).